6-乙氧基吡嗪-3-胺 | 39614-78-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 哒嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 6-乙氧基吡嗪-3-胺
• 中文别名: 6-乙氧基哒嗪-3-胺
• 英文名称: 3-amino-6-ethoxypyridazine
• 英文别名: 6-Ethoxypyridazin-3-amine
• CAS: 39614-78-3
• 化学式: C₆H₉N₃O
• 分子量: 139.157
• InChiKey: GMEONBANQFZLSE-UHFFFAOYSA-N

物化性质

• 熔点：
  163-166 °C
• 沸点：
  351.5±22.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Ethoxypyridazin-3-amine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 6-Ethoxypyridazin-3-amine
CAS number: 39614-78-3

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H9N3O
Molecular weight: 139.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-乙氧基吡嗪-3-胺 在 硫酸 、 碳酸氢钠 、 溶剂黄146 作用下， 反应 30.0h， 生成 N-(6-Ethoxy-2-p-tolyl-imidazo[1,2-b]pyridazin-3-ylmethyl)-benzamide
  参考文献：
  名称：

  Syntheses, pharmacological evaluation and molecular modelling of substituted 6-alkoxyimidazo[1,2-b]pyridazines as new ligands for the benzodiazepine receptor

  摘要：

  A series of 2,3-disubstituted-6-alkoxyimidazo[1,2-b] has been synthesized and evaluated for in vitro affinity for the benzodiazepine receptor (BZR). 3-(Benzamidomethyl or substituted benzamidomethyl)-6-methoxy-2-(3,4-methylenedioxyphenyl)imidazo[1,2-b]pyridazines were found to be the most potent BZR ligands (eg, 4a, IC50 7 nM; 4e, IC50 14 nM; 4v, IC50 8 nM). Imidazo[1,2-b]pyridazines unsubstituted in the 3-position, or containing builder alkoxy groups in the 6-position, were found to bind less strongly to the BZR. Selected compounds from the series were identified from in vitro GABA-shift experiments as BZR agonists. Molecular modelling has been employed to identify the common pharmacophoric points of lipophilic and hydrogen bonding, ligand-receptor interaction and areas of steric hindrance for these substituted imidazo[1,2-b]pyridazines at the BZR.

  DOI：

  10.1016/0223-5234(96)85873-9
• 作为产物：
  描述：

  3-氨基-6-氯哒嗪 、 乙醇 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 20.0h， 以67%的产率得到6-乙氧基吡嗪-3-胺
  参考文献：
  名称：

  Design, Synthesis, and Bioactivity Study of Novel Benzoylpyridazyl Ureas

  摘要：

  A series of novel benzoylpyridazyl ureas were designed and synthesized from maleic anhydride and hydrazine monohydrate. These benzoylureas were identified by H-1 NMR spectroscopy and element analysis. The bioactivities of the new compounds were evaluated. These compounds exhibited larvicidal activities against oriental armyworm, and in particular, compound 13 displayed comparable activity to the commercial insecticide Hexaflumuron. Most of these compounds also had some larvicidal activities against mosquito. Interestingly, some compounds showed good plant growth regulatory activities.

  DOI：

  10.1021/jf900882c

文献信息

• Selective palladium-catalyzed aminations on dichloropyridines
  作者：Tim H.M Jonckers、Bert U.W Maes、Guy L.F Lemière、Roger Dommisse

  DOI：10.1016/s0040-4020(01)00659-7

  日期：2001.8

  Palladium-catalyzed amination proved to be a valuable strategy for the selective introduction of aromatic and heteroaromatic amines, including aminopyridines and aminodiazines, on dichloropyridines. The use of mild amination conditions resulted in maximum selectivity and excellent base sensitive functional group tolerance.

  事实证明，钯催化的胺化反应是在二氯吡啶上选择性引入芳族和杂芳族胺（包括氨基吡啶和氨基二嗪）的有价值的策略。使用温和的胺化条件可实现最大的选择性和出色的碱敏感性官能团耐受性。
• NOVEL COMPOUNDS
  申请人：Glaxo Group Limited

  公开号：US20150065507A1

  公开（公告）日：2015-03-05

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORγ) modulators, processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORγ.

  本发明涉及新型视黄醛酸相关孤儿受体γ（RORγ）调节剂，其制备方法，含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症性、代谢性和自身免疫疾病中的应用。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2013160419A1

  公开（公告）日：2013-10-31

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORγ) modulators, processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORγ.

  本发明涉及新型视黄醛相关孤儿受体γ（RORγ）调节剂，其制备方法，含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症性、代谢性和自身免疫性疾病中的应用。
• A revision of the alcoholysis and alkanethiolysis of 3-amino-6-chloropyridazine
  作者：Bert U. W. Maes、Guy L. F. Lemière、Roger Dommisse、Achiel Haemers

  DOI：10.1002/jhet.5570380530

  日期：2001.9

  The synthesis of 3-amino-6-alkoxy- and 3-amino-6-alkylthiopyridazines via nucleophilic aromatic substitution on 3-amino-6-chloropyridazine is described. In contrast to literature reports, no pressure tube is required to perform these reactions.

  描述了通过在3-氨基-6-氯哒嗪上的亲核芳族取代合成3-氨基-6-烷氧基-和3-氨基-6-烷基硫代哒嗪。与文献报道相反，不需要压力管来进行这些反应。
• [EN] SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES<br/>[FR] PYRIDINES SUBSTITUÉES POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：GOSSAMER BIO SERVICES INC

  公开号：WO2021211741A1

  公开（公告）日：2021-10-21

  Compounds having the structure of Formula (I) or pharmaceutically acceptable isomers, racemates, hydrates, solvates or salts thereof, where A, R1, R2a, R2b, R2c and R3 are as defined herein, are useful in the modulation of IL-12, IL-23 and/or IFNα by acting on TYK2 to cause signal transduction inhibition, as well as to pharmaceutical compositions containing the same and to methods of their use and preparation.

  具有Formula (I)结构或其药学上可接受的异构体、拉克酸盐、水合物、溶剂合物或盐的化合物，在此处所定义的A、R1、R2a、R2b、R2c和R3，可用于通过作用于TYK2来引起信号转导抑制，从而调节IL-12、IL-23和/或IFNα，以及含有这些化合物的药物组合物，以及它们的使用和制备方法。